CAS RN: 926217-12-1
BENZENEETHANIMIDAMIDE, N-HYDROXY-3-METHOXY-4-METHYL-
- Product code: SSC-206362
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
926217-12-1 / N'-hydroxy-2-(3-methoxy-4-methylphenyl)ethanimidamide
Basic Information
CAS
926217-12-1
Multi CAS
Yes
Molecular Formula
C10H14N2O2
Molecular Weight
194.230000
Exact Mass
194.105528
InChI
InChI=1S/C10H14N2O2/c1-7-3-4-8(5-9(7)14-2)6-10(11)12-13/h3-5,13H,6H2,1-2H3,(H2,11,12)
InChIKey
OFKSWXIPWBESRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.84
TPSA
67.84
LogP / Solubility
WLOGP
1.29
MLOGP
1.14
XLogP3
1.3
Consensus LogP
1.24
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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